2,2,2-trifluoro-N-(1H-indazol-5-yl)-N-methylacetamide

C10H8F3N3O — CID 22933660

IUPAC2,2,2-trifluoro-N-(1H-indazol-5-yl)-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1ccc2[nH]ncc2c1
InChIInChI=1S/C10H8F3N3O/c1-16(9(17)10(11,12)13)7-2-3-8-6(4-7)5-14-15-8/h2-5H,1H3,(H,14,15)
InChIKeyGGFZIISFAWQQRY-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.09
Rot. Bonds1

About 2,2,2-trifluoro-N-(1H-indazol-5-yl)-N-methylacetamide

2,2,2-trifluoro-N-(1H-indazol-5-yl)-N-methylacetamide (PubChem CID 22933660) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1H-indazol-5-yl)-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1H-indazol-5-yl)-N-methylacetamide
PubChem CID22933660
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name2,2,2-trifluoro-N-(1H-indazol-5-yl)-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1ccc2[nH]ncc2c1
InChIInChI=1S/C10H8F3N3O/c1-16(9(17)10(11,12)13)7-2-3-8-6(4-7)5-14-15-8/h2-5H,1H3,(H,14,15)
InChIKeyGGFZIISFAWQQRY-UHFFFAOYSA-N
XLogP2.09
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1H-indazol-5-yl)-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1H-indazol-5-yl)-N-methylacetamide (CID 22933660) is 2,2,2-trifluoro-N-(1H-indazol-5-yl)-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1H-indazol-5-yl)-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1H-indazol-5-yl)-N-methylacetamide is CN(C(=O)C(F)(F)F)c1ccc2[nH]ncc2c1.
What is the InChIKey of 2,2,2-trifluoro-N-(1H-indazol-5-yl)-N-methylacetamide?
The InChIKey is GGFZIISFAWQQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-16(9(17)10(11,12)13)7-2-3-8-6(4-7)5-14-15-8/h2-5H,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(1H-indazol-5-yl)-N-methylacetamide?
2,2,2-trifluoro-N-(1H-indazol-5-yl)-N-methylacetamide has a molecular weight of 243.19 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1H-indazol-5-yl)-N-methylacetamide is sourced from PubChem (CID 22933660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).